N-(4-chlorophenyl)-N-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-N-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chlorophenyl)-N-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E857-2741 |
| Compound Name: | N-(4-chlorophenyl)-N-(2-{[(4-ethylphenyl)methyl]amino}-2-oxoethyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C23 H25 Cl N2 O3 S |
| Smiles: | CCc1ccc(CNC(CN(C(C2=C(C)OCCS2)=O)c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0899 |
| logD: | 4.0899 |
| logSw: | -4.3689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | HGBWVAVOCGBAFB-UHFFFAOYSA-N |